KEGG   COMPOUND: C16928
Entry
C16928                      Compound                               
Name
Capillone;
1-Phenyl-2,4-hexadiene-1-one
Formula
C12H12O
Exact mass
172.0888
Mol weight
172.22
Structure
Other DBs
CAS: 74743-50-3
PubChem: 96023420
ChEBI: 80803
NIKKAJI: J1.262.470K
LinkDB
KCF data

ATOM        13
            1   C8y C    16.3670  -16.6714
            2   C5a C    17.5787  -15.9495
            3   C2b C    18.7904  -16.6490
            4   C2b C    20.0020  -15.9495
            5   C2b C    21.2137  -16.6490
            6   C2b C    22.4254  -15.9495
            7   C1a C    23.6371  -16.6490
            8   O5a O    17.5691  -14.5505
            9   C8x C    15.1502  -15.9910
            10  C8x C    13.9475  -16.7075
            11  C8x C    13.8967  -18.0374
            12  C8x C    15.1835  -18.7879
            13  C8x C    16.3862  -18.0713
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     2   8 2
            8     1   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    1  13 1

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